4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine

C17H21ClN2O — CID 150370518

IUPAC4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
SMILESCC(C)C[C@H](C)COc1cnc(-c2ccncc2)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-12(2)8-13(3)11-21-17-10-20-16(9-15(17)18)14-4-6-19-7-5-14/h4-7,9-10,12-13H,8,11H2,1-3H3/t13-/m0/s1
InChIKeyGXQDEZCGHSUKOB-ZDUSSCGKSA-N
MW304.82 g/mol
LogP4.86
Rot. Bonds6

About 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine

4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine (PubChem CID 150370518) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
PubChem CID150370518
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
SMILESCC(C)C[C@H](C)COc1cnc(-c2ccncc2)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-12(2)8-13(3)11-21-17-10-20-16(9-15(17)18)14-4-6-19-7-5-14/h4-7,9-10,12-13H,8,11H2,1-3H3/t13-/m0/s1
InChIKeyGXQDEZCGHSUKOB-ZDUSSCGKSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine?
The IUPAC name of 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine (CID 150370518) is 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine.
What is the SMILES notation for 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine?
The canonical SMILES for 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine is CC(C)C[C@H](C)COc1cnc(-c2ccncc2)cc1Cl.
What is the InChIKey of 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine?
The InChIKey is GXQDEZCGHSUKOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(2)8-13(3)11-21-17-10-20-16(9-15(17)18)14-4-6-19-7-5-14/h4-7,9-10,12-13H,8,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine?
4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine has a molecular weight of 304.82 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine is sourced from PubChem (CID 150370518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).